Monomers

4-(4-Methoxyphenyl)-1-butene

Identifiers

IUPAC name
1-but-3-enyl-4-methoxybenzene
InchI
InChI=1S/C11H14O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h3,6-9H,1,4-5H2,2H3
InchI Key
CLTMQCGFHLPTBB-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)CCC=C
Canonical SMILES
COC1=CC=C(C=C1)CCC=C
Isomeric SMILES
COC1=CC=C(C=C1)CCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
9.23
MolLogP
2.8138
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
    4.2138   -1.0882    0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6462    0.1232   -0.1494 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006    0.3663    0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7547    1.5880   -0.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4203    1.7822   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3754    0.8525    0.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2170   -0.3343    0.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5459   -0.5916    0.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8136    1.0934    0.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6998    0.6252   -0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5716   -0.8110   -0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6271   -1.5939   -0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5978   -1.9113   -0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2531   -1.2092    1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2534   -1.1167   -0.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3580    2.3212   -0.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0492    2.7323   -0.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3730   -1.0980    1.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9975   -1.5376    1.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1339    0.6793    1.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9376    2.1976    0.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7356    0.8553    0.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4087    1.2033   -1.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6390   -1.2987   -0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5724   -1.1632   -0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6213   -2.6662   -0.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
  8  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers